UCSF

ZINC20543604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 9.33 -42.28 2 6 1 63 320.413 5
Mid Mid (pH 6-8) 3.01 7.32 -8.52 1 6 0 62 319.405 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )